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  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
Upload into unstable.

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bench/FERMI/in.eam.titan
 
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# bulk Cu lattice
 
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newton          off
 
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package         gpu force/neigh 0 0 1
 
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processors      * * * grid numa
 
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variable        x index 1
 
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variable        y index 1
 
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variable        z index 1
 
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variable        xx equal 20*$x
 
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variable        yy equal 20*$y
 
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variable        zz equal 20*$z
 
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units           metal
 
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atom_style      atomic
 
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lattice         fcc 3.615
 
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region          box block 0 ${xx} 0 ${yy} 0 ${zz}
 
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create_box      1 box
 
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create_atoms    1 box
 
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pair_style      eam/gpu
 
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pair_coeff      1 1 Cu_u3.eam
 
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velocity        all create 1600.0 376847 loop geom
 
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neighbor        1.0 bin
 
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neigh_modify    every 1 delay 5 check yes
 
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fix             1 all nve
 
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timestep        0.005
 
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thermo          50
 
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run             15
 
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run             100